chempirical

5-Methyl-3-pyridinecarbonitrile

C7H6N2CAS 42885-14-3118.14 g/mol

Open in Covalent MOL file
NN
Nitrile

Properties

Molecular formula
C7H6N2
Molar mass
118.14 g/mol
Exact mass
118.0531 Da
logP
1.26Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
42885-14-3
SMILES
Cc1cncc(C#N)c1
InChIKey
VDWQWOXVBXURMT-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2/c1-6-2-7(3-8)5-9-4-6/h2,4-5H,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 3-Pyridinecarbonitrile, 5-methyl-
  • Nicotinonitrile, 5-methyl-
  • 3-Cyano-5-methylpyridine
  • 3-Methyl-5-cyanopyridine
  • 5-Methylnicotinonitrile
  • 5-Cyano-3-methylpyridine

Work with 5-Methyl-3-pyridinecarbonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,5-Dimethylbenzonitrile22445-42-758 % similar 3,5-Lutidine591-22-054 % similar 5-Fluoro-3-pyridinecarbonitrile696-42-453 % similar 3-Methylbenzonitrile620-22-450 % similar 4-Methylbenzonitrile104-85-846 % similar (5-Methylpyridin-3-yl)methanol102074-19-144 % similar 3-Bromo-5-methylpyridine3430-16-843 % similar 5-Methyl-3-pyridinamine3430-19-143 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-(Cyanomethylene)cyclobutanecarbonitrile1153949-98-4 Pyridin-4-yl-acetonitrile13121-99-8 6-Methyl-2-pyridinecarbonitrile1620-75-3 4-Methyl-2-pyridinecarbonitrile1620-76-4 5-Methyl-2-pyridinecarbonitrile1620-77-5 2-Aminobenzonitrile1885-29-6 3-Methyl-2-pyridinecarbonitrile20970-75-6 3-Aminobenzonitrile2237-30-1

Elsewhere

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